1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde

C12H17N3O — CID 105474398

IUPAC1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESCN1CCc2c(c(C=O)nn2C2CCC2)C1
InChIInChI=1S/C12H17N3O/c1-14-6-5-12-10(7-14)11(8-16)13-15(12)9-3-2-4-9/h8-9H,2-7H2,1H3
InChIKeyVGCSHSBXFGPMRB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.41
Rot. Bonds2

About 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde

1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde (PubChem CID 105474398) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
PubChem CID105474398
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESCN1CCc2c(c(C=O)nn2C2CCC2)C1
InChIInChI=1S/C12H17N3O/c1-14-6-5-12-10(7-14)11(8-16)13-15(12)9-3-2-4-9/h8-9H,2-7H2,1H3
InChIKeyVGCSHSBXFGPMRB-UHFFFAOYSA-N
XLogP1.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105495323
1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105493367
1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83863026
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
CID 83863028
1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105499492
1-[3-ethenyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139398452
(2-cyclopentyl-6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)methanamine
CID 105495336
2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 105460796
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83862963
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
3-fluoro-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145046744
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde (CID 105474398) is 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde is CN1CCc2c(c(C=O)nn2C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The InChIKey is VGCSHSBXFGPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-6-5-12-10(7-14)11(8-16)13-15(12)9-3-2-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde has a molecular weight of 219.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 105474398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).